%chk=000131852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131852

0 1
 O   -2.665100       1.301400       1.148300    
 N  -0.6387000     -0.2338000      0.1443000    
 N   -3.843700       1.071100     -0.8101000    
 C   0.2534000      -1.286300     -0.2955000    
 C    1.665800      -1.052400      0.2597000    
 C    2.281100      0.2603000     -0.2410000    
 C    3.710600      0.4863000      0.2577000    
 C  -0.3031000      -2.625600      0.1766000    
 C   -1.976500     -0.4063000     -0.4135000    
 C    4.354300       1.747900     -0.2965000    
 C   -2.838300      0.7375000      7.0000000E-02
 H   0.3193000      -1.295100      -1.391100    
 H    1.648300      -1.051300       1.357500    
 H    2.314400      -1.884700     -4.2300001E-02
 H    1.665200       1.110500      7.5000003E-02
 H    2.282400      0.2594000      -1.338300    
 H    4.331800     -0.3741000     -1.8300001E-02
 H    3.708500      0.5384000       1.352900    
 H  -0.6916000     -0.2231000       1.163000    
 H   0.4455000      -3.415000      3.8100000E-02
 H  -0.5619000      -2.614600       1.241900    
 H   -1.180400      -2.943200     -0.3958000    
 H   -1.942000     -0.4051000      -1.508800    
 H   -2.478500      -1.315000     -6.7400001E-02
 H    3.780500       2.635500     -1.1900000E-02
 H    4.409700       1.710300      -1.389000    
 H    5.371000       1.859100      9.3199998E-02
 H   -4.493200       1.821400     -0.5988000    
 H   -3.980000      0.5865000      -1.691400    


%chk=000131852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131852

0 1
O -2.902681 0.745673 1.376121
N -0.663764 -0.293539 0.101289
N -3.899846 1.244392 -0.660295
C 0.265519 -1.403721 -0.216910
C 1.672412 -1.067788 0.340148
C 2.330541 0.150025 -0.341126
C 3.675657 0.555960 0.303041
C -0.222729 -2.786868 0.298926
C -1.915020 -0.230198 -0.652543
C 4.336563 1.762584 -0.397948
C -2.931853 0.632883 0.115080
H 0.341204 -1.450165 -1.324384
H 1.583988 -0.879698 1.431912
H 2.322963 -1.959365 0.228305
H 1.619439 0.997673 -0.301886
H 2.495000 -0.076928 -1.416262
H 4.370643 -0.309256 0.285550
H 3.506884 0.796376 1.372911
H -0.842980 -0.180641 1.110723
H 0.428160 -3.603193 -0.066938
H -0.211485 -2.809695 1.405348
H -1.254916 -3.004135 -0.034825
H -1.744356 0.191971 -1.665343
H -2.406413 -1.227116 -0.804289
H 3.672920 2.647291 -0.368201
H 4.545789 1.536970 -1.460982
H 5.292722 2.039569 0.083637
H -4.628986 1.784771 -0.195143
H -3.886573 1.196167 -1.677418


